(S)-(+)-Glycidyl butyrate

HCID 6999819CAS 65031-96-1

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Grundinformationen

Standard-SMILES: CCCC(=O)OC[C@@H]1CO1
InChIKey: YLNSNVGRSIOCEU-LURJTMIESA-N
Summenformel: C7H12O3
Durchschnittliche Molmasse: 144,17 g/mol
Monoisotopische Masse: 144,07864424

Namen und Bezeichner

Bevorzugter Name: (S)-(+)-Glycidyl butyrate
IUPAC: [(2S)-oxiran-2-yl]methyl butanoate
Englischer Name: (S)-(+)-Glycidyl butyrate
Summenformel: C7H12O3
Molmasse: 144.17

Namen und Synonyme

65031-96-1(S)-(+)-Glycidyl butyrateDTXSID30426451(+)-Glycidyl butyrateRefChem:407633DTXCID60377285613-736-8(s)-Glycidyl Butyrate(S)-Oxiran-2-ylmethyl butyrate[(2S)-oxiran-2-yl]methyl butanoateMFCD00273369Butanoic acid, (2S)-oxiranylmethyl ester

Weitere Namen anzeigen

Torezolid-19Tedizolid Impurity 45(S)-Glycidil butyrate(S)-GLYCIDYL BUTANOATE(S)-GlycidylButyrate>(S)-(+)-GLYCIDYL BUTYRATE(S)-(-)-GLYCIDYL BUTYRATE

Butyric Acid (S)-Glycidyl EsterButanoic acid (2s)-2-oxiranylmethyl esterSCHEMBL78536(S)-Oxiran-2-ylmethylbutyrate(S)-(+)-Glycidyl butyrate, 98%AKOS005259912AKOS015892752BS-43780

Datenbank-Bezeichner

CAS: 65031-96-1
PubChem CID: 6999819
DTXSID: DTXSID30426451
EC Number: 613-736-8
Nikkaji: J627.649K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 38,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 10
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Siedepunkt: 90 °C · 90°C (19 mmHg)
Dichte: 1.018 · 1.018
Brechungsindex: 1.428 · 1.428
Flammpunkt: 185 °F · 185°F
storage temp.: -20 °C · Storage temp. -20°C
Wichte: 1.018 · 1.018
BRN: 8198560 · 8198560
InChI: 1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKey: YLNSNVGRSIOCEU-LURJTMIESA-N
SMILES: CCCC(=O)OC[C@@H]1CO1
CAS Datenbank: 65031 · 65031-96-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (13.3%)

Sicherheitsdaten

wgk: 3
ridadr: 2810
hs_code: 29156000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(S)-Oxiranylmethyl Butyrate is the enantiomer of (2R)-2-Oxiranylmethyl Ester Butanoic Acid (O847090), which is a reagent used in the synthesis of glycidol, a stabilizer in manufacturing of vinyl polymers; intermediate in the synthesis of glycerol, glycidyl ethers, and amines; additive for oil and synthetic hydraulic fluids; epoxy resin diluent.